SCHEMBL31361087

SCHEMBL31361087

CC(C)(C)OC(=O)N(CCO)CC(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.44
SSTR4 P31391 1/20 0.44
HDAC6 Q9UBN7 2/20 0.32
APLNR P35414 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CTSD P07339 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29746689 0.86 CA14 (0.40) CA14SSTR4HDAC6APLNRHDAC1
SCHEMBL24323748 0.84 SSTR4 (0.42) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL3667144 0.84 SSTR4 (0.42) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL503444 0.83 CA14 (0.53) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL13163338 0.83 SSTR4 (0.41) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL12723119 0.83 SSTR4 (0.41) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL1761184 0.81 SSTR4 (0.40) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL28584989 0.81 CA14 (0.51) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL745378 0.81 CA14 (0.51) CA14SSTR4HDAC6HDAC1HDAC2
SCHEMBL4472315 0.80 SSTR4 (0.40) CA14SSTR4HDAC6HDAC1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176820-A Tricyclic compounds as MAT2A inhibitors 艾立康药业股份有限公司 2024-12-24 CN disclosed